(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide

C11H18N2OS — CID 107569617

IUPAC(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)c1ccsc1
InChIInChI=1S/C11H18N2OS/c1-3-4-10(12)11(14)13-8(2)9-5-6-15-7-9/h5-8,10H,3-4,12H2,1-2H3,(H,13,14)/t8?,10-/m1/s1
InChIKeyWXUIDKVJMPBTIP-LHIURRSHSA-N
MW226.34 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide

(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide (PubChem CID 107569617) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
PubChem CID107569617
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)c1ccsc1
InChIInChI=1S/C11H18N2OS/c1-3-4-10(12)11(14)13-8(2)9-5-6-15-7-9/h5-8,10H,3-4,12H2,1-2H3,(H,13,14)/t8?,10-/m1/s1
InChIKeyWXUIDKVJMPBTIP-LHIURRSHSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide (CID 107569617) is (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide is CCC[C@@H](N)C(=O)NC(C)c1ccsc1.
What is the InChIKey of (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide?
The InChIKey is WXUIDKVJMPBTIP-LHIURRSHSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-4-10(12)11(14)13-8(2)9-5-6-15-7-9/h5-8,10H,3-4,12H2,1-2H3,(H,13,14)/t8?,10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide?
(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide has a molecular weight of 226.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide is sourced from PubChem (CID 107569617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).